3-[(2S)-4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]propan-1-ol

Systemtic Name: 3-[(2S)-4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]propan-1-ol Openeye Name: 3-[(2S)-4-(2-thienyl)-2-(3,4,5-trimethoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]propan-1-ol CAS Name: 3-[(2S)-4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]-1-propanol IUPAC Name: 3-[(2S)-4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]propan-1-ol Traditional Name: 3-[(2S)-4-(2-thienyl)-2-(3,4,5-trimethoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]propan-1-ol Formula: C21H23N4O4S- MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C=C(N=C3N2N=C([N-]3)CCCO)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2C=C(N=C3N2N=C([N-]3)CCCO)C4=CC=CS4

InChI

InChI=1S/C21H23N4O4S/c1-27-16-10-13(11-17(28-2)20(16)29-3)15-12-14(18-6-5-9-30-18)22-21-23-19(7-4-8-26)24-25(15)21/h5-6,9-12,15,26H,4,7-8H2,1-3H3/q-1/t15-/m0/s1